Merge branch '461-use-namedtuple-in-return-2' into 'development'

Resolve "use NamedTuple in return"

Closes #461

See merge request damask/DAMASK!1025

Author: MarDiehl

python/damask/_orientation.py

@@ -1,5 +1,5 @@
 import copy
-from typing import Tuple, Optional, Union, TypeVar, Literal # mypy 1.11, overload
+from typing import Optional, Union, TypeVar, Literal, NamedTuple # mypy 1.11, overload
 
 import numpy as np
 
@@ -12,6 +12,21 @@
 
 MyType = TypeVar('MyType', bound='Orientation')
 
+class DisorientationTuple(NamedTuple):
+    disorientation: 'Orientation'
+    operators: np.ndarray
+
+
+class AverageTuple(NamedTuple):
+    average: 'Orientation'
+    cloud: 'Orientation'
+
+
+class ToSSTTuple(NamedTuple):
+    vector_sst: np.ndarray
+    operator: np.ndarray
+
+
 class Orientation(Rotation,Crystal):
     """
     Representation of crystallographic orientation as combination of rotation and either crystal family or Bravais lattice.
@@ -466,7 +481,7 @@ def larger_or_equal(v,c):
 
     def disorientation(self: MyType,
                        other: MyType,
-                       return_operators: bool = False) -> Union[Tuple[MyType, np.ndarray], MyType]:
+                       return_operators: bool = False) -> Union[MyType, DisorientationTuple]:
         """
         Calculate disorientation between self and given other orientation.
 
@@ -477,15 +492,16 @@ def disorientation(self: MyType,
             Compatible innermost dimensions will blend.
         return_operators : bool, optional
             Return index pair of symmetrically equivalent orientations
-            that result in disorientation axis falling into FZ.
+            that result in misorientation falling into disorientation FZ.
             Defaults to False.
 
         Returns
         -------
         disorientation : Orientation
             Disorientation between self and other.
         operators : numpy.ndarray of int, shape (...,2), conditional
-            Index of symmetrically equivalent orientation that rotated vector to the SST.
+            Index pair of symmetrically equivalent orientations
+            that result in misorientation falling into disorientation FZ.
 
         Notes
         -----
@@ -543,11 +559,11 @@ def disorientation(self: MyType,
 
         quat = r[ok][sort].reshape((*shp,4))
 
-        return (
-                (self.copy(rotation=quat), (np.vstack(loc[:2]).T)[sort].reshape((*shp,2)))
-                if return_operators else
-                self.copy(rotation=quat)
-               )
+        if return_operators:
+            operators = (np.vstack(loc[:2]).T)[sort].reshape((*shp, 2))
+            return DisorientationTuple(self.copy(rotation=quat), operators)
+        else:
+            return self.copy(rotation=quat)
 
 
     def disorientation_angle(self: MyType,
@@ -637,7 +653,7 @@ def disorientation_angle(self: MyType,
 
     def average(self: MyType,                                                                       # type: ignore[override]
                 weights: Optional[FloatSequence] = None,
-                return_cloud: bool = False) -> Union[Tuple[MyType, MyType], MyType]:
+                return_cloud: bool = False) -> Union[MyType, AverageTuple]:
         """
         Return orientation average over last dimension.
 
@@ -671,9 +687,10 @@ def average(self: MyType,
                                                    axis=0),
                                 axis=0))
 
-        return ((self.copy(Rotation(r).average(weights)),self.copy(Rotation(r))) if return_cloud else
-                self.copy(Rotation(r).average(weights))
-               )
+        if return_cloud:
+            return AverageTuple(self.copy(Rotation(r).average(weights)),self.copy(Rotation(r)))
+        else:
+            return self.copy(Rotation(r).average(weights))
 
     # mypy 1.11
     #@overload
@@ -686,7 +703,7 @@ def to_SST(self,
                vector: FloatSequence,
                proper: bool = False,
     #           return_operators: bool = False) -> Union[np.ndarray,Tuple[np.ndarray,np.ndarray]]:
-               return_operators: bool = False) -> np.ndarray:
+               return_operator: bool = False) -> Union[np.ndarray, ToSSTTuple]:
         """
         Rotate lab frame vector to ensure it falls into (improper or proper) standard stereographic triangle of crystal symmetry.
 
@@ -699,16 +716,16 @@ def to_SST(self,
         proper : bool, optional
             Consider only vectors with z >= 0, hence combine two neighboring SSTs.
             Defaults to False.
-        return_operators : bool, optional
-            Return the symmetrically equivalent orientation that rotated vector to SST.
+        return_operator : bool, optional
+            Return the index of the symmetrically equivalent orientation that rotated vector to SST.
             Defaults to False.
 
         Returns
         -------
         vector_SST : numpy.ndarray, shape (...,3)
             Rotated vector falling into SST.
         operator : numpy.ndarray of int, shape (...), conditional
-            Index of symmetrically equivalent orientation that rotated vector to SST.
+            Index of the symmetrically equivalent orientation that rotated vector to SST.
 
         """
         vector_ = np.array(vector,float)
@@ -723,11 +740,10 @@ def to_SST(self,
         loc   = np.where(ok)
         sort  = 0 if len(loc) == 1 else np.lexsort(loc[:0:-1])
 
-        return (
-                (poles[ok][sort].reshape(blend+(3,)), (np.vstack(loc[:1]).T)[sort].reshape(blend))
-                if return_operators else
-                poles[ok][sort].reshape(blend+(3,))
-               )
+        if return_operator:
+            return ToSSTTuple(poles[ok][sort].reshape(blend+(3,)), (np.vstack(loc[:1]).T)[sort].reshape(blend))
+        else:
+            return poles[ok][sort].reshape(blend+(3,))
 
 
     def in_SST(self,
@@ -827,8 +843,8 @@ def IPF_color(self,
         if np.array(vector).shape[-1] != 3:
             raise ValueError('input is not a field of three-dimensional vectors')
 
-        vector_ = self.to_SST(vector,proper) if in_SST else \
-                  self @ np.broadcast_to(vector,self.shape+(3,))
+        vector_:np.ndarray = self.to_SST(vector,proper) if in_SST else \
+                             self @ np.broadcast_to(vector,self.shape+(3,))                         #type: ignore
 
         if self.standard_triangle is None:                                                          # direct exit for no symmetry
             return np.zeros_like(vector_)

python/damask/_result.py

@@ -8,7 +8,7 @@
 from pathlib import Path
 from collections import defaultdict
 from collections.abc import Iterable
-from typing import Optional, Union, Callable, Any, Sequence, Literal, Dict, List, Tuple
+from typing import Optional, Union, Callable, Any, Sequence, Literal, Dict, List, Tuple, NamedTuple
 
 import h5py
 import numpy as np
@@ -30,6 +30,12 @@
 
 prefix_inc = 'increment_'
 
+class MappingsTuple(NamedTuple):
+    at_cell_ph: List[Dict[str, np.ndarray]]
+    in_data_ph: List[Dict[str, np.ndarray]]
+    at_cell_ho: Dict[str, np.ndarray]
+    in_data_ho: Dict[str, np.ndarray]
+
 
 def _read(dataset: h5py._hl.dataset.Dataset) -> np.ndarray:
     """Read a dataset and its metadata into a numpy.ndarray."""
@@ -1577,7 +1583,7 @@ def job_pointwise(group: str,
                     print(f'Could not add dataset: {err}.')
 
 
-    def _mappings(self):
+    def _mappings(self) -> MappingsTuple:
         """Mappings to place data spatially."""
         with h5py.File(self.fname,'r') as f:
 
@@ -1594,7 +1600,7 @@ def _mappings(self):
             in_data_ho = {label: f['/'.join(['cell_to','homogenization'])]['entry'][at_cell_ho[label]] \
                                  for label in self._visible['homogenizations']}
 
-        return at_cell_ph,in_data_ph,at_cell_ho,in_data_ho
+        return MappingsTuple(at_cell_ph, in_data_ph, at_cell_ho, in_data_ho)
 
 
     def get(self,
@@ -1694,7 +1700,7 @@ def place(self,
                       (range(self.N_constituents) if constituents is None else [constituents])      # type: ignore
 
         suffixes = [''] if self.N_constituents == 1 or isinstance(constituents,int) else \
-                   [f'#{c}' for c in constituents_]
+                   [f'#{c}' for c in constituents_]                                                 # type: ignore
 
         at_cell_ph,in_data_ph,at_cell_ho,in_data_ho = self._mappings()
 
@@ -1722,7 +1728,7 @@ def place(self,
                                                 _empty_like(data,self.N_materialpoints,fill_float,fill_int)
 
                                     for c,suffix in zip(constituents_,suffixes):
-                                        r[inc][ty][field][out+suffix][at_cell_ph[c][label]] = data[in_data_ph[c][label]]
+                                        r[inc][ty][field][out+suffix][at_cell_ph[c][label]] = data[in_data_ph[c][label]] # type: ignore
 
                                 if ty == 'homogenization':
                                     if out not in r[inc][ty][field].keys():

python/damask/_rotation.py

@@ -2,7 +2,7 @@
 import copy
 import re
 import builtins
-from typing import Optional, Union, Sequence, Tuple, Literal, List, TypeVar
+from typing import Optional, Union, Sequence, Tuple, Literal, List, TypeVar, NamedTuple
 
 import numpy as np
 
@@ -12,6 +12,11 @@
 from . import grid_filters
 
 
+class AxisAngleTuple(NamedTuple):
+    axis: np.ndarray
+    angle: np.ndarray
+
+
 _P = -1
 
 # parameters for conversion from/to cubochoric
@@ -720,7 +725,7 @@ def as_Euler_angles(self,
 
     def as_axis_angle(self,
                       degrees: bool = False,
-                      pair: bool = False) -> Union[Tuple[np.ndarray, np.ndarray], np.ndarray]:
+                      pair: bool = False) -> Union[AxisAngleTuple, np.ndarray]:
         """
         Represent as axis–angle pair.
 
@@ -748,7 +753,10 @@ def as_axis_angle(self,
         """
         ax: np.ndarray = Rotation._qu2ax(self.quaternion)
         if degrees: ax[...,3] = np.degrees(ax[...,3])
-        return (ax[...,:3],ax[...,3]) if pair else ax
+        if pair:
+            return AxisAngleTuple(ax[...,:3],ax[...,3])
+        else:
+            return ax
 
     def as_matrix(self) -> np.ndarray:
         """

python/damask/_vtk.py

@@ -652,7 +652,7 @@ def show(self,
                     colormap
         lut.SetNumberOfTableValues(len(colormap_.colors))
         for i,c in enumerate(colormap_.colors):
-            lut.SetTableValue(i,c if len(c)==4 else np.append(c,1.0))
+            lut.SetTableValue(i,c if len(c)==4 else np.append(c,1.0))                               # type: ignore
         lut.Build()
         if label is not None:
             self.vtk_data.GetCellData().SetActiveScalars(label)

python/damask/util.py

@@ -13,7 +13,7 @@
 from functools import reduce as _reduce, partial as _partial, wraps as _wraps
 import inspect
 from typing import Optional as _Optional, Callable as _Callable, Union as _Union, Iterable as _Iterable, \
-                   Dict as _Dict, List as _List, Tuple as _Tuple, Literal as _Literal, \
+                   Dict as _Dict, List as _List, Tuple as _Tuple, Literal as _Literal, NamedTuple as _NamedTuple,\
                    Any as _Any, TextIO as _TextIO, Generator as _Generator
 from pathlib import Path as _Path
 
@@ -24,6 +24,10 @@
 from ._typehints import FloatSequence as _FloatSequence, IntSequence as _IntSequence, \
                         NumpyRngSeed as _NumpyRngSeed, FileHandle as _FileHandle
 
+class stdioTuple(_NamedTuple):
+    stdin: str
+    stdout: str
+
 
 # https://svn.blender.org/svnroot/bf-blender/trunk/blender/build_files/scons/tools/bcolors.py
 # https://stackoverflow.com/questions/287871
@@ -145,7 +149,7 @@ def strikeout(msg) -> str:
 def run(cmd: str,
         wd: str = './',
         env: _Optional[_Dict[str, str]] = None,
-        timeout: _Optional[int] = None) -> _Tuple[str, str]:
+        timeout: _Optional[int] = None) -> stdioTuple:
     """
     Run a command.
 
@@ -194,7 +198,7 @@ def pass_signal(sig,_,proc,default):
         print(stderr)
         raise RuntimeError(f"'{cmd}' failed with returncode {process.returncode}")
 
-    return stdout, stderr
+    return stdioTuple(stdout, stderr)
 
 @_contextlib.contextmanager
 def open_text(fname: _FileHandle,